2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid

C11H20N2O3 — CID 62696023

IUPAC2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
SMILESCCC(C)NCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-7(2)12-6-9(14)13-10(11(15)16)8-4-5-8/h7-8,10,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGJCSIRUSWWGHRH-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.35
Rot. Bonds7

About 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid

2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid (PubChem CID 62696023) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
PubChem CID62696023
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
SMILESCCC(C)NCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-7(2)12-6-9(14)13-10(11(15)16)8-4-5-8/h7-8,10,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGJCSIRUSWWGHRH-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
CID 120521237
(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid
CID 107825058
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
CID 81079237
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696946
2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695427
2-cyclopropyl-2-(2-methylpentanoylamino)acetic acid
CID 62695331
2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 62696389

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid (CID 62696023) is 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid is CCC(C)NCC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid?
The InChIKey is GJCSIRUSWWGHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7(2)12-6-9(14)13-10(11(15)16)8-4-5-8/h7-8,10,12H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid?
2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).